In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 17 | No |
Popular Name: 5-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,2,4-triazole-3-thiol 5-(8-azaspiro[4.5]decan-8-yl)-4-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.75 | 9.94 | -10.09 | 1 | 4 | 0 | 37 | 252.387 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.48 | 9.84 | -43.7 | 0 | 4 | -1 | 34 | 251.379 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.